N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxidanylidene-pentan-2-yl]-4-(4-phenylbutoxy)benzamide

Systemtic Name: N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxidanylidene-pentan-2-yl]-4-(4-phenylbutoxy)benzamide Openeye Name: N-[(1S)-1-(2-dimethylaminoethylcarbamoyl)butyl]-4-(4-phenylbutoxy)benzamide CAS Name: N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxopentan-2-yl]-4-(4-phenylbutoxy)benzamide IUPAC Name: N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxopentan-2-yl]-4-(4-phenylbutoxy)benzamide Traditional Name: N-[(1S)-1-(2-dimethylaminoethylcarbamoyl)butyl]-4-(4-phenylbutoxy)benzamide Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCN(C)C)NC(=O)C1=CC=C(C=C1)OCCCCC2=CC=CC=C2

Isomeric SMILES

CCC[C@@H](C(=O)NCCN(C)C)NC(=O)C1=CC=C(C=C1)OCCCCC2=CC=CC=C2

InChI

InChI=1S/C26H37N3O3/c1-4-10-24(26(31)27-18-19-29(2)3)28-25(30)22-14-16-23(17-15-22)32-20-9-8-13-21-11-6-5-7-12-21/h5-7,11-12,14-17,24H,4,8-10,13,18-20H2,1-3H3,(H,27,31)(H,28,30)/t24-/m0/s1